N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H14ClFN2O3 — CID 166904191

IUPACN-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)c(Cl)c1F)C1COc2ccccc2C1
InChIInChI=1S/C19H14ClFN2O3/c20-17-13(16-8-22-10-26-16)5-6-14(18(17)21)23-19(24)12-7-11-3-1-2-4-15(11)25-9-12/h1-6,8,10,12H,7,9H2,(H,23,24)
InChIKeyDXAVZJPWIHDYCU-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.32
Rot. Bonds3

About N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 166904191) has the molecular formula C19H14ClFN2O3 and a molecular weight of 372.78 g/mol. Its IUPAC name is N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID166904191
Molecular FormulaC19H14ClFN2O3
Molecular Weight372.78 g/mol
Exact Mass372.07
IUPAC NameN-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)c(Cl)c1F)C1COc2ccccc2C1
InChIInChI=1S/C19H14ClFN2O3/c20-17-13(16-8-22-10-26-16)5-6-14(18(17)21)23-19(24)12-7-11-3-1-2-4-15(11)25-9-12/h1-6,8,10,12H,7,9H2,(H,23,24)
InChIKeyDXAVZJPWIHDYCU-UHFFFAOYSA-N
XLogP4.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 176592594
(3R)-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 175866896
(3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
CID 175866913
N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974
(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840512
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 165108124
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
N-(6-chloro-2-phenylbenzotriazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 45281184

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 166904191) is N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(-c2cnco2)c(Cl)c1F)C1COc2ccccc2C1.
What is the InChIKey of N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DXAVZJPWIHDYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O3/c20-17-13(16-8-22-10-26-16)5-6-14(18(17)21)23-19(24)12-7-11-3-1-2-4-15(11)25-9-12/h1-6,8,10,12H,7,9H2,(H,23,24).
What are the key properties of N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 372.78 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 166904191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).